PHA-665752 Hydrate

Analyte Name

(3Z)-5-((2,6-dichlorophenyl)methylsulfonyl)-3-((3,5-dimethyl-4-((2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylidene)-1H-indol-2-one

CAS Number

477575-56-7

Molecular Formula

C32 H34 Cl2 N4 O4 S

Molecular Weight

641.608

Accurate Mass

640.168

SMILES

Cc1[nH]c(\C=C\2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc4c(Cl)cccc4Cl)c(C)c1C(=O)N5CCC[C@@H]5CN6CCCC6

InChI

InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1

IUPAC

(3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat